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1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZ

View entire compound with spectra: 1 NMR

1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZ
SpectraBase Compound ID KyLcuLEYCz2
InChI InChI=1S/C42H40N6O5/c1-47(2)28-45-40-39-35(24-15-29-11-7-5-8-12-29)46-48(41(39)44-27-43-40)38-25-36(49)37(53-38)26-52-42(30-13-9-6-10-14-30,31-16-20-33(50-3)21-17-31)32-18-22-34(51-4)23-19-32/h5-14,16-23,27-28,36-38,49H,25-26H2,1-4H3/b45-28+/t36-,37+,38+/m1/s1
InChIKey LZRKYYXMEHPQGF-IAKSRZSMSA-N
Mol Weight 708.8 g/mol
Molecular Formula C42H40N6O5
Exact Mass 708.306018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZhUgqp7sth
Name 1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-(2-PHENYLETHYNYL)-1H-PYRAZ
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40N6O5
InChI InChI=1S/C42H40N6O5/c1-47(2)28-45-40-39-35(24-15-29-11-7-5-8-12-29)46-48(41(39)44-27-43-40)38-25-36(49)37(53-38)26-52-42(30-13-9-6-10-14-30,31-16-20-33(50-3)21-17-31)32-18-22-34(51-4)23-19-32/h5-14,16-23,27-28,36-38,49H,25-26H2,1-4H3/b45-28+/t36-,37+,38+/m1/s1
InChIKey LZRKYYXMEHPQGF-IAKSRZSMSA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,479(1999)
Literature Reference DOI 10.1039/a808769e
Molecular Weight 708.817 g/mol
Solvent DMSO-D6
Source File Reference UWGE3371